Information card for entry 7121761

Structure parameters

• Formula: C21 H22 F O5 P
• Calculated formula: C21 H22 F O5 P
• Title of publication: Carbene-catalyzed enal γ-carbon addition to α-ketophosphonates for enantioselective access to bioactive 2-pyranylphosphonates.
• Authors of publication: Sun, Jun; He, Fangcheng; Wang, Zhongyao; Pan, Dingwu; Zheng, Pengcheng; Mou, Chengli; Jin, Zhichao; Chi, Yonggui Robin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6040 - 6043
• a: 8.7032 ± 0.0004 Å
• b: 13.2565 ± 0.0006 Å
• c: 18.0076 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2077.61 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No